(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone

C15H13Cl2FN2O3S2 — CID 6470865

IUPAC(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H13Cl2FN2O3S2/c16-12-9-10(18)1-2-11(12)15(21)19-5-7-20(8-6-19)25(22,23)14-4-3-13(17)24-14/h1-4,9H,5-8H2
InChIKeyDZJDFGDTNFUICO-UHFFFAOYSA-N
MW423.32 g/mol
LogP3.34
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 6470865) has the molecular formula C15H13Cl2FN2O3S2 and a molecular weight of 423.32 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID6470865
Molecular FormulaC15H13Cl2FN2O3S2
Molecular Weight423.32 g/mol
Exact Mass421.97
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H13Cl2FN2O3S2/c16-12-9-10(18)1-2-11(12)15(21)19-5-7-20(8-6-19)25(22,23)14-4-3-13(17)24-14/h1-4,9H,5-8H2
InChIKeyDZJDFGDTNFUICO-UHFFFAOYSA-N
XLogP3.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
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[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 7921522
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone (CID 6470865) is (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is DZJDFGDTNFUICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3S2/c16-12-9-10(18)1-2-11(12)15(21)19-5-7-20(8-6-19)25(22,23)14-4-3-13(17)24-14/h1-4,9H,5-8H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 423.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 6470865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).